BindingDB PrimarySearch

BDBM50096645 3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionamide::3-(4'-cyanobiphenyl-4-yloxy)-N-hydroxypropanamide::3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide::CHEMBL38851

SMILES: ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=XZWFHJUEAVOHHG-UHFFFAOYSA-N

Data: 9 IC50 2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50096645
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	655	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
Institut de Recherches Servier Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
Institut de Recherches Servier Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
Institut de Recherches Servier Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
Institut de Recherches Servier Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
Institut de Recherches Servier Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry				Bioorg Med Chem Lett 20: 280-2 (2010) Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN
Duke University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1553-6 (2001) BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 1553-6 (2001) BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloprotease-3 (MMP-3)				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Binding affinity to stromelysin-1 catalytic domain				Bioorg Med Chem Lett 20: 280-2 (2010) Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN
Duke University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50096645 (3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...) Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloproteinase-1.				Bioorg Med Chem Lett 11: 1553-6 (2001) BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair